2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate

C18H18O3 — CID 4980924

IUPAC2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(C=CC(=O)OCCOc2ccccc2)cc1
InChIInChI=1S/C18H18O3/c1-15-7-9-16(10-8-15)11-12-18(19)21-14-13-20-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3
InChIKeyKLAOQUUEWWQRGN-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.63
Rot. Bonds6

About 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate

2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate (PubChem CID 4980924) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
PubChem CID4980924
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(C=CC(=O)OCCOc2ccccc2)cc1
InChIInChI=1S/C18H18O3/c1-15-7-9-16(10-8-15)11-12-18(19)21-14-13-20-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3
InChIKeyKLAOQUUEWWQRGN-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 6234129
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
trimethyl-[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyethyl]azanium chloride
CID 23459285
2-(4-methylphenoxy)ethyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 71953038
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519063
(E)-3-(4-methylphenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 55359738
2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
CID 4980822
2-[4-[4-[2-[(E)-3-phenylprop-2-enoyl]oxyethoxy]phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 102003786
butyl 3-(4-propoxyphenyl)prop-2-enoate
CID 130331854
4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenoxy]butyl (E)-3-phenylprop-2-enoate
CID 102145573

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate (CID 4980924) is 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate is Cc1ccc(C=CC(=O)OCCOc2ccccc2)cc1.
What is the InChIKey of 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate?
The InChIKey is KLAOQUUEWWQRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-15-7-9-16(10-8-15)11-12-18(19)21-14-13-20-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3.
What are the key properties of 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate?
2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 4980924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).